3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

C15H9BrF2N4O2 — CID 163213317

IUPAC3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1nc(-c2ccc(Br)nc2)no1
InChIInChI=1S/C15H9BrF2N4O2/c16-12-4-2-9(7-19-12)13-21-15(24-22-13)14(23)20-6-8-1-3-10(17)5-11(8)18/h1-5,7H,6H2,(H,20,23)
InChIKeyQTMPSJXLOUBMEC-UHFFFAOYSA-N
MW395.16 g/mol
LogP3.10
Rot. Bonds4

About 3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 163213317) has the molecular formula C15H9BrF2N4O2 and a molecular weight of 395.16 g/mol. Its IUPAC name is 3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID163213317
Molecular FormulaC15H9BrF2N4O2
Molecular Weight395.16 g/mol
Exact Mass393.99
IUPAC Name3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1nc(-c2ccc(Br)nc2)no1
InChIInChI=1S/C15H9BrF2N4O2/c16-12-4-2-9(7-19-12)13-21-15(24-22-13)14(23)20-6-8-1-3-10(17)5-11(8)18/h1-5,7H,6H2,(H,20,23)
InChIKeyQTMPSJXLOUBMEC-UHFFFAOYSA-N
XLogP3.10
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 43819048
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534811
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323
N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083888
3-tert-butyl-N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 121249798
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941
3-(4-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083881
N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083893
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 163213317) is 3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccc(F)cc1F)c1nc(-c2ccc(Br)nc2)no1.
What is the InChIKey of 3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is QTMPSJXLOUBMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N4O2/c16-12-4-2-9(7-19-12)13-21-15(24-22-13)14(23)20-6-8-1-3-10(17)5-11(8)18/h1-5,7H,6H2,(H,20,23).
What are the key properties of 3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 395.16 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 163213317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).